Propane-2-sulphonic acid

Base Information

• Chemical Name: Propane-2-sulphonic acid
• CAS No.: 14159-48-9
• Molecular Formula: C3H8 O3 S
• Molecular Weight: 124.161
• Hs Code.: 2904100000
• European Community (EC) Number: 238-001-5
• UNII: HY79DZ5K84
• DSSTox Substance ID: DTXSID00161766
• Nikkaji Number: J216.885E
• Wikidata: Q27131585
• Metabolomics Workbench ID: 61982
• Mol file: 14159-48-9.mol

Synonyms:2-Propanesulfonic acid;Propane-2-sulphonic acid;propane-2-sulfonic acid;14159-48-9;isopropanesulfonic acid;HY79DZ5K84;isopropylsulfonic acid;EINECS 238-001-5;UNII-HY79DZ5K84;Propane sulfate;Dimethylsulfomethan;SCHEMBL5354;CHEBI:62079;DTXSID00161766;1-METHYLETHANESULFONIC ACID;CS-0529655;Q27131585

Chemical Property of Propane-2-sulphonic acid

Chemical Property:

• Melting Point: -37°C
• Refractive Index: 1.4332 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.75000
• Density: 1.28g/cm³
• LogP: 1.36340
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 124.01941529
• Heavy Atom Count: 7
• Complexity: 127

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)O

Technology Process of Propane-2-sulphonic acid

There total 20 articles about Propane-2-sulphonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

2-propanethiol (75-33-2) → propane-2-sulfinic acid (73761-60-1) + 2-propanesulfonic acid (14159-48-9)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; at -40 ℃;

DOI:10.1016/S0040-4039(00)60059-X

Reference yield: 85.0%

diisopropyl sulfide (4253-89-8) → 2-propanesulfonic acid (14159-48-9)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In acetonitrile; at 20 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2009.09.011

Reference yield:

O,O-diethyl-S-isopropyl phosphorothiolate (63873-21-2) → Diethyl phosphate (598-02-7) + triethyl phosphate (78-40-0) + 2-propanesulfonic acid (14159-48-9) + C7H17O6PS (82452-44-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In ethanol; acetone; Further byproducts given;

upstream raw materials:

2-iodo-propane

diisopropylsulfide

diisopropyl sulfide

2-propanethiol

Downstream raw materials:

Isopropylsulfonyl chloride